6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one

C9H7N3O3 — CID 13480889

IUPAC6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc([N+](=O)[O-])c(=O)n12
InChIInChI=1S/C9H7N3O3/c1-6-3-2-4-8-10-5-7(12(14)15)9(13)11(6)8/h2-5H,1H3
InChIKeyIXRHVACEBYBNPZ-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.91
Rot. Bonds1

About 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one

6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 13480889) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID13480889
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2ncc([N+](=O)[O-])c(=O)n12
InChIInChI=1S/C9H7N3O3/c1-6-3-2-4-8-10-5-7(12(14)15)9(13)11(6)8/h2-5H,1H3
InChIKeyIXRHVACEBYBNPZ-UHFFFAOYSA-N
XLogP0.91
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 13480889) is 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one is Cc1cccc2ncc([N+](=O)[O-])c(=O)n12.
What is the InChIKey of 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IXRHVACEBYBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-6-3-2-4-8-10-5-7(12(14)15)9(13)11(6)8/h2-5H,1H3.
What are the key properties of 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 205.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 13480889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).